uspto-grants-1986_08 · 10.6084/m9.figshare.5104873.v1 · US04607034
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IDENTITY
结构与身份
- 标准SMILES
- S=C=NC1CCCC1
- InChIKey
- PJOODZCPFADLCI-UHFFFAOYSA-N
- 分子式
- C6H9NS
- 平均分子量
- 127.21 g/mol
- 单同位素质量
- 127.04557046
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 44.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 110
物化、安全与法规信息正在同步。
ALIASES
名称与别名
Cyclopentyl isothiocyanate33522-03-1DTXSID20187160RefChem:129888DTXCID30109651641-305-4PJOODZCPFADLCI-UHFFFAOYSA-NIsothiocyanatocyclopentaneMFCD00040877cyclopentanisothiocyanateCyclopentane, isothiocyanato-isothiocyanato-cyclopentaneIsothiocyanatocyclopentane #SCHEMBL710256IBA52203SBB017610AKOS000211795Cyclopentyl isothiocyanate, AldrichCPRPS-10317DB-068846
REACTIONS
相关反应
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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